SCHEMBL8954222

SCHEMBL8954222

CCCCc1nc(C(C)=C(Cc2ccccc2)C(=O)O)cn1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KLK7 P49862 4/20 0.35
KLK5 Q9Y337 4/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
PDE10A Q9Y233 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
ACHE P22303 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8954218 1.00 TLR7 (0.36) TLR7L3MBTL1KLK7KLK5PRSS1
SCHEMBL8954215 1.00 TLR7 (0.36) TLR7L3MBTL1KLK7KLK5PRSS1
SCHEMBL7975881 0.70 MEN1 (0.35) TLR7L3MBTL1PDE10A
SCHEMBL7986647 0.69 MEN1 (0.37) TLR7L3MBTL1PDE10A
SCHEMBL7987345 0.69 L3MBTL1 (0.33) TLR7L3MBTL1PDE10A
SCHEMBL10441676 0.68 KMT2A (0.34) TLR7L3MBTL1PDE10A
SCHEMBL9424439 0.68 KMT2A (0.34) TLR7L3MBTL1PDE10A
SCHEMBL7395406 0.68 HDAC3 (0.41) TLR7L3MBTL1PDE10A
SCHEMBL7990760 0.67 L3MBTL1 (0.33) TLR7L3MBTL1PDE10AGPR119
SCHEMBL7402017 0.67 HDAC3 (0.40) TLR7L3MBTL1PDE10A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530017-A CONGESTIVE HEART FAILURE, RENAL FAILURE AND GLAUCOMA SMITHKLINE BEECHAM CORP (US) 1996-06-25 US disclosed
US-5444080-A Hypotensive agents SMITHKLINE BEECHAM CORPORATION (US) 1995-08-22 US disclosed
EP-0541705-A4 SUBSTITUTED 1H-IMIDAZOL-5-YL)ALKANOIC ACIDS 1993-11-10 EP disclosed
EP-0541705-A1 SUBSTITUTED 1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-05-19 EP disclosed
WO-1992002510-A1 SUBSTITUTED [1H-IMIDAZOL-5-YL]ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-02-20 WO disclosed